Two-Dimensional PC-SAFT-DFT Adsorption Models for Carbon Slit-Shaped Pores with Surface Energetical Heterogeneity and Geometrical Corrugation-Reference-Cited by-同舟云学术

Two-Dimensional PC-SAFT-DFT Adsorption Models for Carbon Slit-Shaped Pores with Surface Energetical Heterogeneity and Geometrical Corrugation

Published:2023-09-28 Issue:40 Volume:62 Page:16428-16446
ISSN:0888-5885
Container-title:Industrial & Engineering Chemistry Research
language:en
Short-container-title:Ind. Eng. Chem. Res.

Author:

Sun Yunhao¹^ORCID,Ji Xiaoyan²^ORCID,Lu Xiaohua³,Ling Xiang¹

Affiliation:

1. Jiangsu Key Laboratory of Process Enhancement and New Energy Equipment Technology, School of Mechanical and Power Engineering, Nanjing Tech University, No 30 Pu Zhu South Road, Nanjing, PR 211816, China

2. Division of Energy Science/Energy Engineering, Luleå University of Technology, Luleå 97187, Sweden

3. State Key Laboratory of Materials-Oriented Chemical Engineering, Nanjing Tech University, Nanjing 210009, P. R. China

Funder

Jiangsu Funding Program for Excellent Postdoctoral Talent

Publisher

American Chemical Society (ACS)

Subject

Industrial and Manufacturing Engineering,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.iecr.3c01524

Reference75 articles.

1. Free-Energy-Averaged Potentials for Adsorption in Heterogeneous Slit Pores Using PC-SAFT Classical Density Functional Theory

2. Thermodynamic properties of minerals and related substances at 298.15 K and 1 bar (10^5 pascals) pressure and at higher temperatures

3. Progress, Opportunities, and Challenges for Applying Atomically Detailed Modeling to Molecular Adsorption and Transport in Metal−Organic Framework Materials

4. Modeling of molecular gas adsorption isotherms on porous materials with hybrid PC-SAFT–DFT

5. Recent advances in classical density functional theory for associating and polyatomic molecules

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